Dynamic NMR study of tri-tert-bultylcarbinol and of a carbinol-methylaluminoxane mixture

Authors
Helaja, T Hakala, K Helaja, J Lofgren, B Hase, T
Citation
T. Helaja et al., Dynamic NMR study of tri-tert-bultylcarbinol and of a carbinol-methylaluminoxane mixture, MAGN RES CH, 38(3), 2000, pp. 165-171
Citations number
20
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
MAGNETIC RESONANCE IN CHEMISTRY
ISSN journal
07491581 → ACNP
Volume
38
Issue
3
Year of publication
2000
Pages
165 - 171
Database
ISI
SICI code
0749-1581(200003)38:3<165:DNSOTA>2.0.ZU;2-H
Abstract
The reaction of tri-tert-butylcarbinol and oligomeric methylaluminoxane (MA O) prepared in toluene-d(8) was studied by analysing the reaction mixture u tilizing ROESY, HSQC and HMBC 2D NMR experiments. The formation of one main alkoxide was observed in the reaction. Dynamic C-13 NMR and semiempirical PM3 molecular modelling were used in concert to study the tert-butyl group rotation barriers of this alkoxide. From several modelled acyclic and cycli c MAO fragments, an open chain -Al(Me)OAl(Me)-fragment was observed to be c onsistent with the NMR results. Copyright (C) 2000 John Wiley & Sons, Ltd.